N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide Openeye Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide CAS Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-nitrobenzamide Traditional Name: N-[1-[4-(2,5-dichlorophenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide Formula: C25H21Cl2N5O4S MolecularWeight: 558.43634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21Cl2N5O4S/c1-15(28-24(33)17-6-4-7-19(12-17)32(34)35)23-29-30-25(31(23)22-13-18(26)9-10-21(22)27)37-14-16-5-3-8-20(11-16)36-2/h3-13,15H,14H2,1-2H3,(H,28,33)